USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 148 hydrogens (36 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 7 AQCHN2A : A 7 AQC N2' : A 6 2AU C2' :(H bumps) USER MOD NoAdj-H: B 7 AQCHN2A : B 7 AQC N2' : B 6 2AU C2' :(H bumps) USER MOD Single : A 1 DA O5' : rot -19:sc= 0.22 USER MOD Single : A 6 2AU O3' : rot 39:sc= 0 USER MOD Single : B 1 DA O5' : rot -21:sc= 0.244 USER MOD Single : B 6 2AU O3' : rot 39:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.693 13.575 -5.989 1.00 0.00 O ATOM 2 C5' DA A 1 -0.105 12.490 -5.507 1.00 0.00 C ATOM 3 C4' DA A 1 -0.200 11.388 -6.535 1.00 0.00 C ATOM 4 O4' DA A 1 1.080 11.250 -7.198 1.00 0.00 O ATOM 5 C3' DA A 1 -0.520 10.006 -5.968 1.00 0.00 C ATOM 6 O3' DA A 1 -1.932 9.773 -6.027 1.00 0.00 O ATOM 7 C2' DA A 1 0.235 9.074 -6.899 1.00 0.00 C ATOM 8 C1' DA A 1 1.475 9.886 -7.220 1.00 0.00 C ATOM 9 N9 DA A 1 2.577 9.725 -6.268 1.00 0.00 N ATOM 10 C8 DA A 1 2.786 10.441 -5.115 1.00 0.00 C ATOM 11 N7 DA A 1 3.861 10.083 -4.457 1.00 0.00 N ATOM 12 C5 DA A 1 4.397 9.061 -5.225 1.00 0.00 C ATOM 13 C6 DA A 1 5.542 8.261 -5.065 1.00 0.00 C ATOM 14 N6 DA A 1 6.385 8.369 -4.038 1.00 0.00 N ATOM 15 N1 DA A 1 5.793 7.331 -6.009 1.00 0.00 N ATOM 16 C2 DA A 1 4.947 7.217 -7.038 1.00 0.00 C ATOM 17 N3 DA A 1 3.840 7.911 -7.301 1.00 0.00 N ATOM 18 C4 DA A 1 3.617 8.828 -6.344 1.00 0.00 C ATOM 0 H5' DA A 1 -1.104 12.850 -5.262 1.00 0.00 H new ATOM 0 H5'' DA A 1 0.327 12.097 -4.587 1.00 0.00 H new ATOM 0 H4' DA A 1 -1.016 11.687 -7.193 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.236 9.876 -4.924 1.00 0.00 H new ATOM 0 H2' DA A 1 0.480 8.127 -6.418 1.00 0.00 H new ATOM 0 H2'' DA A 1 -0.340 8.837 -7.794 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.248 13.266 -6.735 1.00 0.00 H new ATOM 0 H1' DA A 1 1.852 9.540 -8.182 1.00 0.00 H new ATOM 0 H8 DA A 1 2.125 11.227 -4.781 1.00 0.00 H new ATOM 0 H61 DA A 1 7.199 7.757 -3.980 1.00 0.00 H new ATOM 0 H62 DA A 1 6.216 9.063 -3.310 1.00 0.00 H new ATOM 0 H2 DA A 1 5.196 6.453 -7.759 1.00 0.00 H new ATOM 31 P DC A 2 -2.509 8.289 -5.809 1.00 0.00 P ATOM 32 OP1 DC A 2 -3.963 8.322 -6.111 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.048 7.819 -4.478 1.00 0.00 O ATOM 34 O5' DC A 2 -1.773 7.425 -6.928 1.00 0.00 O ATOM 35 C5' DC A 2 -2.507 6.527 -7.757 1.00 0.00 C ATOM 36 C4' DC A 2 -2.440 5.126 -7.197 1.00 0.00 C ATOM 37 O4' DC A 2 -1.297 4.984 -6.336 1.00 0.00 O ATOM 38 C3' DC A 2 -3.638 4.734 -6.335 1.00 0.00 C ATOM 39 O3' DC A 2 -4.577 3.983 -7.111 1.00 0.00 O ATOM 40 C2' DC A 2 -3.035 3.880 -5.222 1.00 0.00 C ATOM 41 C1' DC A 2 -1.534 3.878 -5.496 1.00 0.00 C ATOM 42 N1 DC A 2 -0.665 4.021 -4.314 1.00 0.00 N ATOM 43 C2 DC A 2 0.420 3.150 -4.169 1.00 0.00 C ATOM 44 O2 DC A 2 0.605 2.269 -5.023 1.00 0.00 O ATOM 45 N3 DC A 2 1.241 3.288 -3.104 1.00 0.00 N ATOM 46 C4 DC A 2 1.005 4.240 -2.200 1.00 0.00 C ATOM 47 N4 DC A 2 1.846 4.347 -1.171 1.00 0.00 N ATOM 48 C5 DC A 2 -0.102 5.131 -2.313 1.00 0.00 C ATOM 49 C6 DC A 2 -0.900 4.991 -3.379 1.00 0.00 C ATOM 0 H5' DC A 2 -2.102 6.542 -8.769 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.546 6.850 -7.825 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.402 4.488 -8.080 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.182 5.593 -5.942 1.00 0.00 H new ATOM 0 H2' DC A 2 -3.256 4.298 -4.240 1.00 0.00 H new ATOM 0 H2'' DC A 2 -3.440 2.868 -5.237 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.285 2.905 -5.920 1.00 0.00 H new ATOM 0 H41 DC A 2 1.695 5.064 -0.461 1.00 0.00 H new ATOM 0 H42 DC A 2 2.640 3.712 -1.093 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.290 5.890 -1.568 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.743 5.655 -3.502 1.00 0.00 H new ATOM 61 P DG A 3 -5.934 3.447 -6.430 1.00 0.00 P ATOM 62 OP1 DG A 3 -7.016 3.587 -7.434 1.00 0.00 O ATOM 63 OP2 DG A 3 -6.085 4.085 -5.100 1.00 0.00 O ATOM 64 O5' DG A 3 -5.659 1.893 -6.212 1.00 0.00 O ATOM 65 C5' DG A 3 -4.852 1.155 -7.131 1.00 0.00 C ATOM 66 C4' DG A 3 -4.531 -0.211 -6.571 1.00 0.00 C ATOM 67 O4' DG A 3 -3.356 -0.100 -5.731 1.00 0.00 O ATOM 68 C3' DG A 3 -5.627 -0.831 -5.701 1.00 0.00 C ATOM 69 O3' DG A 3 -5.756 -2.228 -5.996 1.00 0.00 O ATOM 70 C2' DG A 3 -5.135 -0.613 -4.281 1.00 0.00 C ATOM 71 C1' DG A 3 -3.626 -0.572 -4.423 1.00 0.00 C ATOM 72 N9 DG A 3 -2.947 0.313 -3.481 1.00 0.00 N ATOM 73 C8 DG A 3 -3.403 1.508 -2.984 1.00 0.00 C ATOM 74 N7 DG A 3 -2.566 2.076 -2.159 1.00 0.00 N ATOM 75 C5 DG A 3 -1.492 1.197 -2.105 1.00 0.00 C ATOM 76 C6 DG A 3 -0.278 1.271 -1.373 1.00 0.00 C ATOM 77 O6 DG A 3 0.103 2.154 -0.597 1.00 0.00 O ATOM 78 N1 DG A 3 0.532 0.166 -1.614 1.00 0.00 N ATOM 79 C2 DG A 3 0.215 -0.876 -2.448 1.00 0.00 C ATOM 80 N2 DG A 3 1.124 -1.850 -2.546 1.00 0.00 N ATOM 81 N3 DG A 3 -0.910 -0.958 -3.134 1.00 0.00 N ATOM 82 C4 DG A 3 -1.712 0.105 -2.917 1.00 0.00 C ATOM 0 H5' DG A 3 -3.929 1.699 -7.332 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.375 1.052 -8.082 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.400 -0.855 -7.441 1.00 0.00 H new ATOM 0 H3' DG A 3 -6.610 -0.390 -5.867 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.523 0.315 -3.861 1.00 0.00 H new ATOM 0 H2'' DG A 3 -5.453 -1.419 -3.619 1.00 0.00 H new ATOM 0 H1' DG A 3 -3.252 -1.576 -4.220 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.359 1.936 -3.249 1.00 0.00 H new ATOM 0 H1 DG A 3 1.431 0.128 -1.134 1.00 0.00 H new ATOM 0 H21 DG A 3 0.948 -2.653 -3.150 1.00 0.00 H new ATOM 0 H22 DG A 3 1.994 -1.791 -2.017 1.00 0.00 H new ATOM 94 P DC A 4 -6.710 -3.155 -5.090 1.00 0.00 P ATOM 95 OP1 DC A 4 -7.341 -4.149 -5.990 1.00 0.00 O ATOM 96 OP2 DC A 4 -7.568 -2.288 -4.244 1.00 0.00 O ATOM 97 O5' DC A 4 -5.693 -3.929 -4.139 1.00 0.00 O ATOM 98 C5' DC A 4 -4.345 -4.163 -4.548 1.00 0.00 C ATOM 99 C4' DC A 4 -3.813 -5.430 -3.917 1.00 0.00 C ATOM 100 O4' DC A 4 -2.770 -5.076 -2.986 1.00 0.00 O ATOM 101 C3' DC A 4 -4.825 -6.243 -3.111 1.00 0.00 C ATOM 102 O3' DC A 4 -4.540 -7.644 -3.214 1.00 0.00 O ATOM 103 C2' DC A 4 -4.625 -5.765 -1.681 1.00 0.00 C ATOM 104 C1' DC A 4 -3.296 -5.014 -1.672 1.00 0.00 C ATOM 105 N1 DC A 4 -3.396 -3.596 -1.289 1.00 0.00 N ATOM 106 C2 DC A 4 -2.352 -3.021 -0.557 1.00 0.00 C ATOM 107 O2 DC A 4 -1.375 -3.721 -0.255 1.00 0.00 O ATOM 108 N3 DC A 4 -2.435 -1.721 -0.196 1.00 0.00 N ATOM 109 C4 DC A 4 -3.503 -1.001 -0.543 1.00 0.00 C ATOM 110 N4 DC A 4 -3.538 0.279 -0.177 1.00 0.00 N ATOM 111 C5 DC A 4 -4.582 -1.560 -1.286 1.00 0.00 C ATOM 112 C6 DC A 4 -4.486 -2.849 -1.637 1.00 0.00 C ATOM 0 H5' DC A 4 -3.720 -3.317 -4.262 1.00 0.00 H new ATOM 0 H5'' DC A 4 -4.297 -4.242 -5.634 1.00 0.00 H new ATOM 0 H4' DC A 4 -3.489 -6.043 -4.758 1.00 0.00 H new ATOM 0 H3' DC A 4 -5.848 -6.108 -3.462 1.00 0.00 H new ATOM 0 H2' DC A 4 -5.443 -5.115 -1.369 1.00 0.00 H new ATOM 0 H2'' DC A 4 -4.603 -6.606 -0.988 1.00 0.00 H new ATOM 0 H1' DC A 4 -2.664 -5.490 -0.922 1.00 0.00 H new ATOM 0 H41 DC A 4 -4.340 0.859 -0.426 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.763 0.680 0.352 1.00 0.00 H new ATOM 0 H5 DC A 4 -5.444 -0.968 -1.556 1.00 0.00 H new ATOM 0 H6 DC A 4 -5.283 -3.306 -2.205 1.00 0.00 H new ATOM 124 P DG A 5 -5.444 -8.706 -2.409 1.00 0.00 P ATOM 125 OP1 DG A 5 -5.280 -10.023 -3.072 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.804 -8.139 -2.242 1.00 0.00 O ATOM 127 O5' DG A 5 -4.760 -8.785 -0.971 1.00 0.00 O ATOM 128 C5' DG A 5 -3.357 -9.021 -0.838 1.00 0.00 C ATOM 129 C4' DG A 5 -3.008 -9.359 0.592 1.00 0.00 C ATOM 130 O4' DG A 5 -2.596 -8.147 1.267 1.00 0.00 O ATOM 131 C3' DG A 5 -4.152 -9.948 1.417 1.00 0.00 C ATOM 132 O3' DG A 5 -3.663 -10.991 2.268 1.00 0.00 O ATOM 133 C2' DG A 5 -4.663 -8.777 2.236 1.00 0.00 C ATOM 134 C1' DG A 5 -3.503 -7.796 2.296 1.00 0.00 C ATOM 135 N9 DG A 5 -3.888 -6.403 2.094 1.00 0.00 N ATOM 136 C8 DG A 5 -4.911 -5.941 1.306 1.00 0.00 C ATOM 137 N7 DG A 5 -5.023 -4.641 1.314 1.00 0.00 N ATOM 138 C5 DG A 5 -4.011 -4.218 2.166 1.00 0.00 C ATOM 139 C6 DG A 5 -3.642 -2.910 2.577 1.00 0.00 C ATOM 140 O6 DG A 5 -4.145 -1.827 2.254 1.00 0.00 O ATOM 141 N1 DG A 5 -2.566 -2.937 3.459 1.00 0.00 N ATOM 142 C2 DG A 5 -1.921 -4.071 3.881 1.00 0.00 C ATOM 143 N2 DG A 5 -0.897 -3.884 4.723 1.00 0.00 N ATOM 144 N3 DG A 5 -2.253 -5.295 3.506 1.00 0.00 N ATOM 145 C4 DG A 5 -3.301 -5.294 2.656 1.00 0.00 C ATOM 0 H5' DG A 5 -2.803 -8.137 -1.154 1.00 0.00 H new ATOM 0 H5'' DG A 5 -3.056 -9.838 -1.494 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.228 -10.118 0.525 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.933 -10.393 0.801 1.00 0.00 H new ATOM 0 H2' DG A 5 -5.538 -8.324 1.771 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.961 -9.095 3.235 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.076 -7.864 3.297 1.00 0.00 H new ATOM 0 H8 DG A 5 -5.560 -6.589 0.735 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.231 -2.044 3.820 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.374 -4.685 5.076 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.640 -2.940 5.012 1.00 0.00 H new HETATM 157 P 2AU A 6 -4.702 -11.941 3.047 1.00 0.00 P HETATM 158 OP1 2AU A 6 -4.048 -13.252 3.272 1.00 0.00 O HETATM 159 O5' 2AU A 6 -4.878 -11.225 4.459 1.00 0.00 O HETATM 160 C5' 2AU A 6 -6.081 -10.533 4.795 1.00 0.00 C HETATM 161 C4' 2AU A 6 -5.859 -9.659 6.011 1.00 0.00 C HETATM 162 O4' 2AU A 6 -4.476 -9.794 6.446 1.00 0.00 O HETATM 163 C3' 2AU A 6 -6.079 -8.162 5.807 1.00 0.00 C HETATM 164 O3' 2AU A 6 -6.620 -7.544 6.979 1.00 0.00 O HETATM 165 C2' 2AU A 6 -4.683 -7.651 5.466 1.00 0.00 C HETATM 166 C1' 2AU A 6 -3.815 -8.550 6.342 1.00 0.00 C HETATM 167 N1 2AU A 6 -2.470 -8.782 5.797 1.00 0.00 N HETATM 168 C2 2AU A 6 -1.398 -8.215 6.461 1.00 0.00 C HETATM 169 O2 2AU A 6 -1.525 -7.535 7.465 1.00 0.00 O HETATM 170 N3 2AU A 6 -0.171 -8.472 5.905 1.00 0.00 N HETATM 171 C4 2AU A 6 0.088 -9.220 4.778 1.00 0.00 C HETATM 172 O4 2AU A 6 1.252 -9.364 4.403 1.00 0.00 O HETATM 173 C5 2AU A 6 -1.072 -9.769 4.148 1.00 0.00 C HETATM 174 C6 2AU A 6 -2.283 -9.539 4.662 1.00 0.00 C HETATM 184 OP2 2AU A 6 -6.000 -11.887 2.328 1.00 0.00 O HETATM 0 HO3' 2AU A 6 -6.207 -7.937 7.776 1.00 0.00 H new HETATM 0 H5'' 2AU A 6 -6.405 -9.921 3.953 1.00 0.00 H new HETATM 0 H6 2AU A 6 -3.154 -9.966 4.165 1.00 0.00 H new HETATM 0 H5' 2AU A 6 -6.878 -11.250 4.994 1.00 0.00 H new HETATM 0 H5 2AU A 6 -0.968 -10.375 3.248 1.00 0.00 H new HETATM 0 H4' 2AU A 6 -6.601 -10.008 6.729 1.00 0.00 H new HETATM 0 H3' 2AU A 6 -6.807 -7.934 5.028 1.00 0.00 H new HETATM 0 H3 2AU A 6 0.637 -8.065 6.377 1.00 0.00 H new HETATM 0 H1' 2AU A 6 -3.681 -8.054 7.303 1.00 0.00 H new TER 186 2AU A 6 ATOM 187 O5' DA B 1 -8.060 5.815 11.050 1.00 0.00 O ATOM 188 C5' DA B 1 -6.851 5.817 10.286 1.00 0.00 C ATOM 189 C4' DA B 1 -5.920 4.718 10.741 1.00 0.00 C ATOM 190 O4' DA B 1 -6.701 3.542 11.062 1.00 0.00 O ATOM 191 C3' DA B 1 -4.902 4.264 9.697 1.00 0.00 C ATOM 192 O3' DA B 1 -3.672 4.973 9.879 1.00 0.00 O ATOM 193 C2' DA B 1 -4.742 2.786 10.000 1.00 0.00 C ATOM 194 C1' DA B 1 -6.144 2.398 10.431 1.00 0.00 C ATOM 195 N9 DA B 1 -7.038 2.012 9.337 1.00 0.00 N ATOM 196 C8 DA B 1 -7.833 2.841 8.586 1.00 0.00 C ATOM 197 N7 DA B 1 -8.535 2.218 7.672 1.00 0.00 N ATOM 198 C5 DA B 1 -8.178 0.887 7.828 1.00 0.00 C ATOM 199 C6 DA B 1 -8.575 -0.282 7.156 1.00 0.00 C ATOM 200 N6 DA B 1 -9.453 -0.299 6.152 1.00 0.00 N ATOM 201 N1 DA B 1 -8.029 -1.449 7.553 1.00 0.00 N ATOM 202 C2 DA B 1 -7.146 -1.435 8.557 1.00 0.00 C ATOM 203 N3 DA B 1 -6.694 -0.403 9.269 1.00 0.00 N ATOM 204 C4 DA B 1 -7.256 0.744 8.850 1.00 0.00 C ATOM 0 H5' DA B 1 -6.355 6.783 10.386 1.00 0.00 H new ATOM 0 H5'' DA B 1 -7.084 5.686 9.229 1.00 0.00 H new ATOM 0 H4' DA B 1 -5.378 5.141 11.587 1.00 0.00 H new ATOM 0 H3' DA B 1 -5.206 4.449 8.667 1.00 0.00 H new ATOM 0 H2' DA B 1 -4.414 2.224 9.126 1.00 0.00 H new ATOM 0 H2'' DA B 1 -4.009 2.608 10.787 1.00 0.00 H new ATOM 0 HO5' DA B 1 -8.184 4.935 11.464 1.00 0.00 H new ATOM 0 H1' DA B 1 -6.058 1.523 11.075 1.00 0.00 H new ATOM 0 H8 DA B 1 -7.876 3.910 8.735 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.700 -1.182 5.705 1.00 0.00 H new ATOM 0 H62 DA B 1 -9.878 0.571 5.831 1.00 0.00 H new ATOM 0 H2 DA B 1 -6.741 -2.398 8.830 1.00 0.00 H new ATOM 217 P DC B 2 -2.338 4.463 9.142 1.00 0.00 P ATOM 218 OP1 DC B 2 -1.201 5.266 9.662 1.00 0.00 O ATOM 219 OP2 DC B 2 -2.610 4.440 7.683 1.00 0.00 O ATOM 220 O5' DC B 2 -2.173 2.959 9.645 1.00 0.00 O ATOM 221 C5' DC B 2 -0.916 2.480 10.115 1.00 0.00 C ATOM 222 C4' DC B 2 -0.180 1.767 9.005 1.00 0.00 C ATOM 223 O4' DC B 2 -1.103 1.328 7.993 1.00 0.00 O ATOM 224 C3' DC B 2 0.837 2.633 8.266 1.00 0.00 C ATOM 225 O3' DC B 2 2.151 2.401 8.786 1.00 0.00 O ATOM 226 C2' DC B 2 0.731 2.177 6.813 1.00 0.00 C ATOM 227 C1' DC B 2 -0.366 1.118 6.811 1.00 0.00 C ATOM 228 N1 DC B 2 -1.311 1.174 5.681 1.00 0.00 N ATOM 229 C2 DC B 2 -1.616 -0.010 5.001 1.00 0.00 C ATOM 230 O2 DC B 2 -1.066 -1.066 5.350 1.00 0.00 O ATOM 231 N3 DC B 2 -2.501 0.023 3.980 1.00 0.00 N ATOM 232 C4 DC B 2 -3.066 1.178 3.625 1.00 0.00 C ATOM 233 N4 DC B 2 -3.941 1.162 2.619 1.00 0.00 N ATOM 234 C5 DC B 2 -2.762 2.402 4.288 1.00 0.00 C ATOM 235 C6 DC B 2 -1.892 2.354 5.304 1.00 0.00 C ATOM 0 H5' DC B 2 -1.068 1.802 10.954 1.00 0.00 H new ATOM 0 H5'' DC B 2 -0.316 3.312 10.483 1.00 0.00 H new ATOM 0 H4' DC B 2 0.335 0.950 9.509 1.00 0.00 H new ATOM 0 H3' DC B 2 0.648 3.701 8.375 1.00 0.00 H new ATOM 0 H2' DC B 2 0.478 3.009 6.156 1.00 0.00 H new ATOM 0 H2'' DC B 2 1.676 1.767 6.458 1.00 0.00 H new ATOM 0 H1' DC B 2 0.124 0.148 6.730 1.00 0.00 H new ATOM 0 H41 DC B 2 -4.392 2.027 2.321 1.00 0.00 H new ATOM 0 H42 DC B 2 -4.159 0.285 2.147 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.216 3.333 3.982 1.00 0.00 H new ATOM 0 H6 DC B 2 -1.645 3.261 5.835 1.00 0.00 H new ATOM 247 P DG B 3 3.409 3.195 8.173 1.00 0.00 P ATOM 248 OP1 DG B 3 4.318 3.555 9.288 1.00 0.00 O ATOM 249 OP2 DG B 3 2.887 4.261 7.283 1.00 0.00 O ATOM 250 O5' DG B 3 4.137 2.106 7.266 1.00 0.00 O ATOM 251 C5' DG B 3 4.136 0.726 7.635 1.00 0.00 C ATOM 252 C4' DG B 3 4.656 -0.123 6.498 1.00 0.00 C ATOM 253 O4' DG B 3 3.554 -0.426 5.608 1.00 0.00 O ATOM 254 C3' DG B 3 5.738 0.534 5.638 1.00 0.00 C ATOM 255 O3' DG B 3 6.759 -0.421 5.321 1.00 0.00 O ATOM 256 C2' DG B 3 4.995 0.976 4.389 1.00 0.00 C ATOM 257 C1' DG B 3 3.842 -0.003 4.287 1.00 0.00 C ATOM 258 N9 DG B 3 2.616 0.551 3.720 1.00 0.00 N ATOM 259 C8 DG B 3 2.134 1.828 3.866 1.00 0.00 C ATOM 260 N7 DG B 3 1.006 2.027 3.241 1.00 0.00 N ATOM 261 C5 DG B 3 0.729 0.805 2.641 1.00 0.00 C ATOM 262 C6 DG B 3 -0.361 0.407 1.824 1.00 0.00 C ATOM 263 O6 DG B 3 -1.331 1.076 1.452 1.00 0.00 O ATOM 264 N1 DG B 3 -0.247 -0.923 1.431 1.00 0.00 N ATOM 265 C2 DG B 3 0.783 -1.759 1.776 1.00 0.00 C ATOM 266 N2 DG B 3 0.717 -3.005 1.296 1.00 0.00 N ATOM 267 N3 DG B 3 1.804 -1.402 2.534 1.00 0.00 N ATOM 268 C4 DG B 3 1.713 -0.116 2.928 1.00 0.00 C ATOM 0 H5' DG B 3 3.125 0.414 7.898 1.00 0.00 H new ATOM 0 H5'' DG B 3 4.755 0.579 8.520 1.00 0.00 H new ATOM 0 H4' DG B 3 5.101 -0.998 6.972 1.00 0.00 H new ATOM 0 H3' DG B 3 6.238 1.365 6.135 1.00 0.00 H new ATOM 0 H2' DG B 3 4.641 2.003 4.477 1.00 0.00 H new ATOM 0 H2'' DG B 3 5.635 0.934 3.507 1.00 0.00 H new ATOM 0 H1' DG B 3 4.153 -0.802 3.614 1.00 0.00 H new ATOM 0 H8 DG B 3 2.638 2.591 4.440 1.00 0.00 H new ATOM 0 H1 DG B 3 -0.986 -1.305 0.841 1.00 0.00 H new ATOM 0 H21 DG B 3 1.453 -3.676 1.516 1.00 0.00 H new ATOM 0 H22 DG B 3 -0.069 -3.285 0.709 1.00 0.00 H new ATOM 280 P DC B 4 7.921 -0.038 4.275 1.00 0.00 P ATOM 281 OP1 DC B 4 9.184 -0.659 4.739 1.00 0.00 O ATOM 282 OP2 DC B 4 7.871 1.426 4.040 1.00 0.00 O ATOM 283 O5' DC B 4 7.474 -0.768 2.931 1.00 0.00 O ATOM 284 C5' DC B 4 6.661 -1.941 2.973 1.00 0.00 C ATOM 285 C4' DC B 4 6.947 -2.826 1.782 1.00 0.00 C ATOM 286 O4' DC B 4 5.778 -2.850 0.937 1.00 0.00 O ATOM 287 C3' DC B 4 8.096 -2.375 0.882 1.00 0.00 C ATOM 288 O3' DC B 4 8.774 -3.509 0.326 1.00 0.00 O ATOM 289 C2' DC B 4 7.411 -1.576 -0.216 1.00 0.00 C ATOM 290 C1' DC B 4 5.926 -1.916 -0.118 1.00 0.00 C ATOM 291 N1 DC B 4 5.050 -0.767 0.168 1.00 0.00 N ATOM 292 C2 DC B 4 3.776 -0.733 -0.406 1.00 0.00 C ATOM 293 O2 DC B 4 3.420 -1.671 -1.134 1.00 0.00 O ATOM 294 N3 DC B 4 2.965 0.319 -0.154 1.00 0.00 N ATOM 295 C4 DC B 4 3.384 1.307 0.637 1.00 0.00 C ATOM 296 N4 DC B 4 2.549 2.319 0.868 1.00 0.00 N ATOM 297 C5 DC B 4 4.678 1.301 1.232 1.00 0.00 C ATOM 298 C6 DC B 4 5.470 0.252 0.975 1.00 0.00 C ATOM 0 H5' DC B 4 5.608 -1.661 2.981 1.00 0.00 H new ATOM 0 H5'' DC B 4 6.851 -2.490 3.895 1.00 0.00 H new ATOM 0 H4' DC B 4 7.223 -3.789 2.213 1.00 0.00 H new ATOM 0 H3' DC B 4 8.848 -1.797 1.419 1.00 0.00 H new ATOM 0 H2' DC B 4 7.576 -0.507 -0.082 1.00 0.00 H new ATOM 0 H2'' DC B 4 7.808 -1.840 -1.196 1.00 0.00 H new ATOM 0 H1' DC B 4 5.621 -2.299 -1.092 1.00 0.00 H new ATOM 0 H41 DC B 4 2.838 3.091 1.469 1.00 0.00 H new ATOM 0 H42 DC B 4 1.621 2.321 0.444 1.00 0.00 H new ATOM 0 H5 DC B 4 5.008 2.111 1.866 1.00 0.00 H new ATOM 0 H6 DC B 4 6.456 0.211 1.413 1.00 0.00 H new ATOM 310 P DG B 5 9.997 -3.287 -0.699 1.00 0.00 P ATOM 311 OP1 DG B 5 10.826 -4.517 -0.707 1.00 0.00 O ATOM 312 OP2 DG B 5 10.628 -1.985 -0.374 1.00 0.00 O ATOM 313 O5' DG B 5 9.289 -3.148 -2.121 1.00 0.00 O ATOM 314 C5' DG B 5 8.348 -4.125 -2.569 1.00 0.00 C ATOM 315 C4' DG B 5 8.061 -3.948 -4.041 1.00 0.00 C ATOM 316 O4' DG B 5 6.877 -3.130 -4.188 1.00 0.00 O ATOM 317 C3' DG B 5 9.166 -3.260 -4.840 1.00 0.00 C ATOM 318 O3' DG B 5 9.309 -3.878 -6.124 1.00 0.00 O ATOM 319 C2' DG B 5 8.689 -1.827 -4.981 1.00 0.00 C ATOM 320 C1' DG B 5 7.179 -1.890 -4.803 1.00 0.00 C ATOM 321 N9 DG B 5 6.633 -0.830 -3.962 1.00 0.00 N ATOM 322 C8 DG B 5 7.251 -0.227 -2.898 1.00 0.00 C ATOM 323 N7 DG B 5 6.520 0.691 -2.328 1.00 0.00 N ATOM 324 C5 DG B 5 5.345 0.699 -3.068 1.00 0.00 C ATOM 325 C6 DG B 5 4.177 1.494 -2.932 1.00 0.00 C ATOM 326 O6 DG B 5 3.935 2.374 -2.097 1.00 0.00 O ATOM 327 N1 DG B 5 3.230 1.181 -3.902 1.00 0.00 N ATOM 328 C2 DG B 5 3.381 0.221 -4.869 1.00 0.00 C ATOM 329 N2 DG B 5 2.346 0.062 -5.703 1.00 0.00 N ATOM 330 N3 DG B 5 4.462 -0.528 -5.008 1.00 0.00 N ATOM 331 C4 DG B 5 5.399 -0.236 -4.081 1.00 0.00 C ATOM 0 H5' DG B 5 7.423 -4.036 -1.999 1.00 0.00 H new ATOM 0 H5'' DG B 5 8.739 -5.126 -2.387 1.00 0.00 H new ATOM 0 H4' DG B 5 7.954 -4.959 -4.435 1.00 0.00 H new ATOM 0 H3' DG B 5 10.140 -3.325 -4.356 1.00 0.00 H new ATOM 0 H2' DG B 5 9.148 -1.184 -4.230 1.00 0.00 H new ATOM 0 H2'' DG B 5 8.954 -1.418 -5.956 1.00 0.00 H new ATOM 0 H1' DG B 5 6.732 -1.771 -5.790 1.00 0.00 H new ATOM 0 H8 DG B 5 8.245 -0.486 -2.564 1.00 0.00 H new ATOM 0 H1 DG B 5 2.356 1.706 -3.893 1.00 0.00 H new ATOM 0 H21 DG B 5 2.392 -0.635 -6.446 1.00 0.00 H new ATOM 0 H22 DG B 5 1.511 0.638 -5.595 1.00 0.00 H new HETATM 343 P 2AU B 6 10.570 -3.510 -7.053 1.00 0.00 P HETATM 344 OP1 2AU B 6 10.832 -4.683 -7.922 1.00 0.00 O HETATM 345 O5' 2AU B 6 10.026 -2.328 -7.973 1.00 0.00 O HETATM 346 C5' 2AU B 6 10.453 -0.980 -7.778 1.00 0.00 C HETATM 347 C4' 2AU B 6 9.537 -0.029 -8.518 1.00 0.00 C HETATM 348 O4' 2AU B 6 8.497 -0.798 -9.188 1.00 0.00 O HETATM 349 C3' 2AU B 6 8.799 0.993 -7.658 1.00 0.00 C HETATM 350 O3' 2AU B 6 8.633 2.238 -8.346 1.00 0.00 O HETATM 351 C2' 2AU B 6 7.471 0.304 -7.364 1.00 0.00 C HETATM 352 C1' 2AU B 6 7.230 -0.447 -8.669 1.00 0.00 C HETATM 353 N1 2AU B 6 6.440 -1.676 -8.505 1.00 0.00 N HETATM 354 C2 2AU B 6 5.160 -1.693 -9.026 1.00 0.00 C HETATM 355 O2 2AU B 6 4.667 -0.741 -9.605 1.00 0.00 O HETATM 356 N3 2AU B 6 4.476 -2.869 -8.842 1.00 0.00 N HETATM 357 C4 2AU B 6 4.931 -4.002 -8.205 1.00 0.00 C HETATM 358 O4 2AU B 6 4.196 -4.985 -8.123 1.00 0.00 O HETATM 359 C5 2AU B 6 6.262 -3.902 -7.692 1.00 0.00 C HETATM 360 C6 2AU B 6 6.957 -2.772 -7.852 1.00 0.00 C HETATM 370 OP2 2AU B 6 11.659 -2.980 -6.196 1.00 0.00 O HETATM 0 HO3' 2AU B 6 8.435 2.066 -9.290 1.00 0.00 H new HETATM 0 H5'' 2AU B 6 10.454 -0.742 -6.714 1.00 0.00 H new HETATM 0 H6 2AU B 6 7.969 -2.716 -7.451 1.00 0.00 H new HETATM 0 H5' 2AU B 6 11.477 -0.860 -8.133 1.00 0.00 H new HETATM 0 H5 2AU B 6 6.710 -4.748 -7.170 1.00 0.00 H new HETATM 0 H4' 2AU B 6 10.203 0.518 -9.185 1.00 0.00 H new HETATM 0 H3' 2AU B 6 9.337 1.262 -6.749 1.00 0.00 H new HETATM 0 H3 2AU B 6 3.528 -2.908 -9.218 1.00 0.00 H new HETATM 0 H1' 2AU B 6 6.660 0.205 -9.331 1.00 0.00 H new TER 372 2AU B 6 HETATM 373 C4A AQC A 7 -4.484 -1.187 6.608 1.00 0.00 C HETATM 374 C1A AQC A 7 -5.384 -1.490 5.563 1.00 0.00 C HETATM 375 C9 AQC A 7 -6.147 -0.409 4.862 1.00 0.00 C HETATM 376 C8A AQC A 7 -5.911 0.998 5.316 1.00 0.00 C HETATM 377 C5A AQC A 7 -5.009 1.292 6.361 1.00 0.00 C HETATM 378 C10 AQC A 7 -4.253 0.216 7.060 1.00 0.00 C HETATM 379 C4 AQC A 7 -3.787 -2.219 7.241 1.00 0.00 C HETATM 380 C3 AQC A 7 -3.979 -3.541 6.841 1.00 0.00 C HETATM 381 C2 AQC A 7 -4.876 -3.851 5.798 1.00 0.00 C HETATM 382 C1 AQC A 7 -5.570 -2.817 5.170 1.00 0.00 C HETATM 383 C8 AQC A 7 -6.600 2.041 4.689 1.00 0.00 C HETATM 384 C5 AQC A 7 -4.816 2.620 6.753 1.00 0.00 C HETATM 385 C7 AQC A 7 -6.396 3.359 5.092 1.00 0.00 C HETATM 386 C6 AQC A 7 -5.502 3.646 6.124 1.00 0.00 C HETATM 387 C1L AQC A 7 -5.153 -5.246 5.292 1.00 0.00 C HETATM 388 N2' AQC A 7 -4.488 -6.273 5.887 1.00 0.00 N HETATM 389 O9 AQC A 7 -6.925 -0.664 3.959 1.00 0.00 O HETATM 390 O10 AQC A 7 -3.476 0.466 7.961 1.00 0.00 O HETATM 391 O1L AQC A 7 -5.942 -5.441 4.383 1.00 0.00 O HETATM 0 HN2' AQC A 7 -3.832 -6.085 6.645 1.00 0.00 H new HETATM 0 H8 AQC A 7 -7.299 1.822 3.882 1.00 0.00 H new HETATM 0 H7 AQC A 7 -6.936 4.168 4.600 1.00 0.00 H new HETATM 0 H6 AQC A 7 -5.343 4.678 6.436 1.00 0.00 H new HETATM 0 H5 AQC A 7 -4.120 2.850 7.560 1.00 0.00 H new HETATM 0 H4 AQC A 7 -3.092 -1.990 8.049 1.00 0.00 H new HETATM 0 H3 AQC A 7 -3.431 -4.341 7.339 1.00 0.00 H new HETATM 0 H1 AQC A 7 -6.266 -3.047 4.363 1.00 0.00 H new HETATM 400 C4A AQC B 7 3.081 4.873 -5.635 1.00 0.00 C HETATM 401 C1A AQC B 7 4.128 4.791 -4.689 1.00 0.00 C HETATM 402 C9 AQC B 7 4.146 5.671 -3.478 1.00 0.00 C HETATM 403 C8A AQC B 7 3.011 6.633 -3.316 1.00 0.00 C HETATM 404 C5A AQC B 7 1.968 6.707 -4.265 1.00 0.00 C HETATM 405 C10 AQC B 7 1.952 5.834 -5.471 1.00 0.00 C HETATM 406 C4 AQC B 7 3.095 4.037 -6.754 1.00 0.00 C HETATM 407 C3 AQC B 7 4.134 3.126 -6.934 1.00 0.00 C HETATM 408 C2 AQC B 7 5.183 3.039 -5.995 1.00 0.00 C HETATM 409 C1 AQC B 7 5.165 3.877 -4.880 1.00 0.00 C HETATM 410 C8 AQC B 7 2.984 7.474 -2.198 1.00 0.00 C HETATM 411 C5 AQC B 7 0.925 7.618 -4.074 1.00 0.00 C HETATM 412 C7 AQC B 7 1.936 8.376 -2.023 1.00 0.00 C HETATM 413 C6 AQC B 7 0.907 8.446 -2.963 1.00 0.00 C HETATM 414 C1L AQC B 7 6.350 2.088 -6.099 1.00 0.00 C HETATM 415 N2' AQC B 7 6.390 1.259 -7.177 1.00 0.00 N HETATM 416 O9 AQC B 7 5.046 5.605 -2.659 1.00 0.00 O HETATM 417 O10 AQC B 7 1.057 5.897 -6.291 1.00 0.00 O HETATM 418 O1L AQC B 7 7.222 2.065 -5.247 1.00 0.00 O HETATM 0 HN2' AQC B 7 5.649 1.296 -7.876 1.00 0.00 H new HETATM 0 H8 AQC B 7 3.786 7.424 -1.461 1.00 0.00 H new HETATM 0 H7 AQC B 7 1.920 9.028 -1.150 1.00 0.00 H new HETATM 0 H6 AQC B 7 0.089 9.152 -2.823 1.00 0.00 H new HETATM 0 H5 AQC B 7 0.119 7.678 -4.805 1.00 0.00 H new HETATM 0 H4 AQC B 7 2.291 4.097 -7.488 1.00 0.00 H new HETATM 0 H3 AQC B 7 4.136 2.475 -7.808 1.00 0.00 H new HETATM 0 H1 AQC B 7 5.971 3.817 -4.149 1.00 0.00 H new